Compound Identification
SMILES
CCN(CCOC(=O)C=CC1=CC=C(O)C=C1)CC1=C(O)C=CC(Cl)=C1
InChIKey
InChIKey=KOSAAJODSUOPPE-UHFFFAOYSA-N
Formula
C20H22ClNO4
Mass
375.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
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Level 5
Hydroxycinnamic acid esters
- Level 6 Coumaric acid esters
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Level 5
Hydroxycinnamic acid esters
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Hydroxycinnamic acid esters
Direct Parent
Coumaric acid esters
Alternative Parents
Cinnamic acid esters Coumaric acids and derivatives Styrenes Phenylmethylamines P-chlorophenols Benzylamines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Chlorobenzenes Fatty acid esters Aryl chlorides Enoate esters Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid ester - Coumaric acid or derivatives - Cinnamic acid ester - 4-halophenol - 4-chlorophenol - Phenylmethylamine - Benzylamine - Styrene - Halobenzene - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Chlorobenzene - Monocyclic benzene moiety - Fatty acyl - Aryl halide - Aryl chloride - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid.
External Descriptors
Not available